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113145-70-3
Catalog No.:AA0082BE

113145-70-3 | 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-(4,4-diphenyl-1-piperidinyl)propyl methyl ester, monohydrochloride, (4R)-(9CI)

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0082BE
Chemical Name:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-(4,4-diphenyl-1-piperidinyl)propyl methyl ester, monohydrochloride, (4R)-(9CI)
CAS Number:
113145-70-3
Molecular Formula:
C36H40ClN3O6
Molecular Weight:
646.1723
SMILES:
CCCN1C(=C(C(=O)ON2CCC(CC2)(c2ccccc2)c2ccccc2)[C@@H](C(=C1C)C(=O)OC)c1cccc(c1)[N+](=O)[O-])C.Cl
Properties
Computed Properties
 
Complexity:
1100  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
11  

Literature

Title: Investigation of the effects of α1-adrenoceptor antagonism and L-type calcium channel blockade on ejaculation and vas deferens and seminal vesicle contractility in vitro.

Journal: The journal of sexual medicine 20120101

Title: Adrenergic control of a constitutively active acetylcholine-regulated potassium current in canine atrial cardiomyocytes.

Journal: Cardiovascular research 20070601

Title: New 4-aryl-1,4-dihydropyridines and 4-arylpyridines as P-glycoprotein inhibitors.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20050301

Title: Niguldipine impairs the protective activity of carbamazepine and phenobarbital in amygdala-kindled seizures in rats.

Journal: European neuropsychopharmacology : the journal of the European College of Neuropsychopharmacology 20020601

Title: Characterization of the dexniguldipine binding site in the multidrug resistance-related transport protein P-glycoprotein by photoaffinity labeling and mass spectrometry.

Journal: Molecular pharmacology 20020601

Title: The involvement of alpha2-adrenoceptors in the anticonvulsive effect of swim stress in mice.

Journal: Psychopharmacology 20011001

Title: Phe-308 and Phe-312 in transmembrane domain 7 are major sites of alpha 1-adrenergic receptor antagonist binding. Imidazoline agonists bind like antagonists.

Journal: The Journal of biological chemistry 20010706

Title: Discovery of alpha 1a-adrenergic receptor antagonists based on the L-type Ca2+ channel antagonist niguldipine.

Journal: Journal of medicinal chemistry 19950512

Title: (+)-Niguldipine binds with very high affinity to Ca2+ channels and to a subtype of alpha 1-adrenoceptors.

Journal: European journal of pharmacology 19890511

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Tags:113145-70-3 Molecular Formula|113145-70-3 MDL|113145-70-3 SMILES|113145-70-3 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-(4,4-diphenyl-1-piperidinyl)propyl methyl ester, monohydrochloride, (4R)-(9CI)